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This work presents a new hybrid discretization approach to alleviate membrane locking in isogeometric finite element formulations for Kirchhoff-Love shells. The approach is simple, and requires no additional dofs and no static condensation. It does not increase the bandwidth of the tangent matrix and is effective for both linear and nonlinear problems. It combines isogeometric surface discretizations with classical Lagrange-based surface discretizations, and can thus be run with existing isogeometric finite element codes. Also, the stresses can be recovered straightforwardly. The effectiveness of the proposed approach in alleviating, if not eliminating, membrane locking is demonstrated through the rigorous study of the convergence behavior of several classical benchmark problems. Accuracy gains are particularly large in the membrane stresses. The approach is formulated here for quadratic NURBS, but an extension to other discretization types can be anticipated. The same applies to other constraints and associated locking phenomena., Comment: 36 pages, 33 figures, 1 table

The effect of higher order continuity in the solution field by using NURBS basis function in isogeometric analysis (IGA) is investigated for an efficient mixed finite element formulation for elastostatic beams. It is based on the Hu-Washizu variational principle considering geometrical and material nonlinearities. Here we present a reduced degree of basis functions for the additional fields of the stress resultants and strains of the beam, which are allowed to be discontinuous across elements. This approach turns out to significantly improve the computational efficiency and the accuracy of the results. We consider a beam formulation with extensible directors, where cross-sectional strains are enriched to avoid Poisson locking by an enhanced assumed strain method. In numerical examples, we show the superior per degree-of-freedom accuracy of IGA over conventional finite element analysis, due to the higher order continuity in the displacement field. We further verify the efficient rotational coupling between beams, as well as the path-independence of the results., Comment: 58 pages, 23 figures

This work proposes four novel hybrid quadrature schemes for the efficient and accurate evaluation of weakly singular boundary integrals (1/r kernel) on arbitrary smooth surfaces. Such integrals appear in boundary element analysis for several partial differential equations including the Stokes equation for viscous flow and the Helmholtz equation for acoustics. The proposed quadrature schemes apply a Duffy transform-based quadrature rule to surface elements containing the singularity and classical Gaussian quadrature to the remaining elements. Two of the four schemes additionally consider a special treatment for elements near to the singularity, where refined Gaussian quadrature and a new moment-fitting quadrature rule are used. The hybrid quadrature schemes are systematically studied on flat B-spline patches and on NURBS spheres considering two different sphere discretizations: An exact single-patch sphere with degenerate control points at the poles and an approximate discretization that consist of six patches with regular elements. The efficiency of the quadrature schemes is further demonstrated in boundary element analysis for Stokes flow, where steady problems with rotating and translating curved objects are investigated in convergence studies for both, mesh and quadrature refinement. Much higher convergence rates are observed for the proposed new schemes in comparison to classical schemes.

A new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four prominently used bending models. Through an essential set of elementary nonlinear bending test cases, the stresses and moments of each model are examined analytically. Only the proposed bending model passes all the test cases while the other bending models either fail or only pass the test cases for small deformations. The proposed new bending model can handle large deformations and initially curved surfaces. It is based on the principal curvatures and their directions in the initial configuration, and it thus can have different bending moduli along those directions. These characteristics make it flexible in modeling a given material, while it does not suffer from the pathologies of existing bending models. Further, the bending models are compared computationally through four classical benchmark examples and one contact example. As the underlying shell theory is based on Kirchhoff-Love kinematics, isogeometric NURBS shape functions are used to discretize the shell surface. The linearization and efficient finite element implementation of the proposed new model are also provided.

This paper presents an isogeometric finite element formulation for nonlinear beams with impenetrability constraints, based on the kinematics of Cosserat rods with unconstrained directors. The beam cross-sectional deformation is represented by director vectors of an arbitrary order. For the frictionless lateral beam-to-beam contact, a surface-to-surface contact algorithm combined with an active set strategy and a penalty method is employed. The lateral boundary surface of the beam is parameterized by its axis and cross-sectional boundary curves with NURBS basis functions having at least $C^2$-continuity, which yields a continuous surface metric and curvature for the closest point projection. Three-dimensional constitutive laws of hyperelastic materials are considered. Several numerical examples verify the accuracy and efficiency of the proposed beam contact formulation in comparison to brick element solutions. The lateral contact pressure distribution of the beam formulation is in excellent agreement with the contact pressure of the brick element formulation while requiring much less degrees-of-freedom., Comment: 44 pages, 36 figures

This work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system, which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff-Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface deformation gradient is employed, such that an intermediate surface configuration is introduced. The surface metric and curvature of this intermediate configuration follow from the solution of nonlinear evolution laws - ordinary differential equations (ODEs) - that stem from a generalized viscoelastic solid model. The evolution laws are integrated numerically with the implicit Euler scheme and linearized within the Newton-Raphson scheme of the nonlinear finite element framework. The implementation of membrane and bending viscosity is verified with the help of analytical solutions and shows ideal convergence behavior. The chosen numerical examples capture large deformations and typical viscoelasticity behavior, such as creep, relaxation, and strain rate dependence. It is also shown that the proposed formulation can be straightforwardly applied to model boundary viscoelasticity of 3D bodies., Comment: In this version, parts of the introduction and conclusion are rewritten, remarks 1.1, 1.2 and 3.1 are added, the title is slightly modified, the list of highlights is updated, and minor typos are fixed

A topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by five design variables, which are mutated by a zero-order based hill-climbing optimizer. Geometric and material nonlinearities are considered. Continuity in normals to boundaries of the candidate designs is ensured using a boundary resolution and smoothing scheme. Nonlinear mechanical equilibrium equations are solved using the Newton–Raphson method. An updated Lagrange approach in association with segment-to-segment contact method is employed for the contact formulation. Both mutual and self contact modes are permitted. Efficacy of the approach is demonstrated by designing four contact-aided shape morphing compliant mechanisms for different desired curves. Performance of the deformed profiles is verified using a commercial software. The effect of frictional contact surface on the actual profile is also studied.

Cementless implants have become widely used for total hip replacement surgery. The long-term stability of these implants is achieved by bone growing around and into the porous surface of the implant, a process called osseointegration. However, debonding of the bone-implant interface can still occur due to aseptic implant loosening and insufficient osseointegration, which may have dramatic consequences. The aim of this work is to describe a new 3D finite element frictional contact formulation for the debonding of partially osseointegrated implants. The contact model is based on a modified Coulomb's friction law (Immel et al. 2020, Biomech. Model. Mechanobiol.) that takes into account the tangential debonding of the bone-implant interface. This model is extended in the direction normal to the bone-implant interface by considering a cohesive zone model, to account for adhesion phenomena in the normal direction and for adhesive friction of partially bonded interfaces. The model is applied to simulate the debonding of an acetabular cup implant. The influence of partial osseointegration and adhesive effects on the long-term stability of the implant is assessed. The influence of different patient- and implant-specific parameters such as the friction coefficient, the trabecular Young's modulus and the interference fit is also analyzed, in order to determine the optimal stability for different configurations. Furthermore, this work provides guidelines for future experimental and computational studies, that are necessary for further parameter calibration., Comment: Biomech Model Mechanobiol (2022)

This paper presents a general, nonlinear isogeometric finite element formulation for rotation-free shells with embedded fibers that captures anisotropy in stretching, shearing, twisting and bending -- both in-plane and out-of-plane. These capabilities allow for the simulation of large sheets of heterogeneous and fibrous materials either with or without matrix, such as textiles, composites, and pantographic structures. The work is a computational extension of our earlier theoretical work [1] that extends existing Kirchhoff-Love shell theory to incorporate the in-plane bending resistance of initially straight or curved fibers. The formulation requires only displacement degrees-of-freedom to capture all mentioned modes of deformation. To this end, isogeometric shape functions are used in order to satisfy the required $C^1$-continuity for bending across element boundaries. The proposed formulation can admit a wide range of material models, such as surface hyperelasticity that does not require any explicit thickness integration. To deal with possible material instability due to fiber compression, a stabilization scheme is added. Several benchmark examples are used to demonstrate the robustness and accuracy of the proposed computational formulation., Comment: This version changes the title for a better clarity. It also updates the reference list and improves minor text editing. Results unchanged

This work presents a Finite Element Model Updating inverse methodology for reconstructing heterogeneous material distributions based on an efficient isogeometric shell formulation. It uses nonlinear hyperelastic material models suitable for describing incompressible material behavior as well as initially curved shells. The material distribution is discretized by bilinear elements such that the nodal values are the design variables to be identified. Independent FE analysis and material discretization, as well as flexible incorporation of experimental data, offer high robustness and control. Three elementary test cases and one application example, which exhibit large deformations and different challenges, are considered: uniaxial tension, pure bending, sheet inflation, and abdominal wall pressurization. Experiment-like results are generated from high-resolution simulations with the subsequent addition of up to 4% noise. Local optimization based on the trust-region approach is used. The results show that with a sufficient number of experimental measurements, design variables and analysis elements, the algorithm is capable to reconstruct material distributions with high precision even in the presence of large noise. The proposed formulation is very general, facilitating its extension to other material models, optimization algorithms and meshing approaches. Adapted material discretizations allow for an efficient and accurate reconstruction of material discontinuities by avoiding overfitting due to superfluous design variables. For increased computational efficiency, the analytical sensitivities and Jacobians are provided., Comment: 37 pages, 18 figures, 5 tables

In various biological processes such as endocytosis and caveolae formation, the cell membrane is locally deformed into curved morphologies. Previous models to study membrane morphologies resulting from locally induced curvature often only consider the possibility of axisymmetric shapes-an indeed unphysical constraint. Past studies predict that the cell membrane buds at low resting tensions and stalls at a flat pit at high resting tensions. In this work, we lift the restriction to axisymmetry to study all possible membrane morphologies. Only if the resting tension of the membrane is low, we reproduce axisymmetric membrane morphologies. When the resting tension is moderate to high, we show that 1) axisymmetric membrane pits are unstable and 2) nonaxisymmetric ridge-shaped structures are energetically favorable. Furthermore, we find the interplay between intramembrane viscous flow and the rate of induced curvature affects the membrane's ability to transition into nonaxisymmetric ridges and axisymmetric buds. In particular, we show that axisymmetric buds are favored when the induced curvature is rapidly increased, whereas nonaxisymmetric ridges are favored when the curvature is slowly increased. Our results hold relevant implications for biological processes such as endocytosis and physical phenomena like phase separation in lipid bilayers.

In various biological processes such as endocytosis and caveolae formation, the cell membrane is locally deformed into curved morphologies. Previous models to study membrane morphologies resulting from locally induced curvature often only consider the possibility of axisymmetric shapes-an indeed unphysical constraint. Past studies predict that the cell membrane buds at low resting tensions and stalls at a flat pit at high resting tensions. In this work, we lift the restriction to axisymmetry to study all possible membrane morphologies. Only if the resting tension of the membrane is low, we reproduce axisymmetric membrane morphologies. When the resting tension is moderate to high, we show that 1) axisymmetric membrane pits are unstable and 2) nonaxisymmetric ridge-shaped structures are energetically favorable. Furthermore, we find the interplay between intramembrane viscous flow and the rate of induced curvature affects the membrane's ability to transition into nonaxisymmetric ridges and axisymmetric buds. In particular, we show that axisymmetric buds are favored when the induced curvature is rapidly increased, whereas nonaxisymmetric ridges are favored when the curvature is slowly increased. Our results hold relevant implications for biological processes such as endocytosis and physical phenomena like phase separation in lipid bilayers.

Bayesian regularization-backpropagation neural network (BR-BPNN) model is employed to predict some aspects of the gecko spatula peeling viz. the variation of the maximum normal and tangential pull-off forces and the resultant force angle at detachment with the peeling angle. K-fold cross validation is used to improve the effectiveness of the model. The input data is taken from finite element (FE) peeling results. The neural network is trained with 75% of the FE dataset. The remaining 25% are utilized to predict the peeling behavior. The training performance is evaluated for every change in the number of hidden layer neurons to determine the optimal network structure. The relative error is calculated to draw a clear comparison between predicted and FE results. It is shown that the BR-BPNN model in conjunction with k-fold technique has significant potential to estimate the peeling behavior., Comment: 18 pages, 9 figures

A topology optimization approach for designing large deformation contact-aided shape morphing compliant mechanisms is presented. Such mechanisms can be used in varying operating conditions. Design domains are described by regular hexagonal elements. Negative circular masks are employed to perform dual task, i.e., to decide material states of each element and also, to generate rigid contact surfaces. Each mask is characterized by five design variables, which are mutated by a zero-order based hill-climbing optimizer. Geometric and material nonlinearities are considered. Continuity in normals to boundaries of the candidate designs is ensured using a boundary resolution and smoothing scheme. Nonlinear mechanical equilibrium equations are solved using the Newton-Raphson method. An updated Lagrange approach in association with segment-to-segment contact method is employed for the contact formulation. Both mutual and self contact modes are permitted. Efficacy of the approach is demonstrated by designing four contact-aided shape morphing compliant mechanisms for different desired curves. Performance of the deformed profiles is verified using a commercial software. The effect of frictional contact surface on the actual profile is also studied, Comment: 19 pages, 12 figures, 5 tables

A continuum-based computational contact model is employed to study coupled adhesion and friction in gecko spatulae. Nonlinear finite element analysis is carried out to simulate spatula peeling from a rigid substrate. It is shown that the "frictional adhesion" behavior, until now only observed from seta to toe levels, is also present at the spatula level. It is shown that for sufficiently small spatula pad thickness, the spatula detaches at a constant angle known as the critical detachment angle irrespective of the peeling and shaft angles. The spatula reaches the same energy states at the jump-off contact point, which directly relates to the invariance of the critical detachment angle. This study also reveals that there is an optimum pad thickness associated with the invariance of the critical detachment angle. It is further observed that the sliding of the spatula pad is essential for the invariance of the critical detachment angle., Comment: 18 pages, 13 figures

This work presents numerical techniques to enforce continuity constraints on multi-patch surfaces for three distinct problem classes. The first involves structural analysis of thin shells that are described by general Kirchhoff-Love kinematics. Their governing equation is a vector-valued, fourth-order, nonlinear, partial differential equation (PDE) that requires at least $C^1$-continuity within a displacement-based finite element formulation. The second class are surface phase separations modeled by a phase field. Their governing equation is the Cahn-Hilliard equation - a scalar, fourth-order, nonlinear PDE - that can be coupled to the thin shell PDE. The third class are brittle fracture processes modeled by a phase field approach. In this work, these are described by a scalar, fourth-order, nonlinear PDE that is similar to the Cahn-Hilliard equation and is also coupled to the thin shell PDE. Using a direct finite element discretization, the two phase field equations also require at least a $C^1$-continuous formulation. Isogeometric surface discretizations - often composed of multiple patches - thus require constraints that enforce the $C^1$-continuity of displacement and phase field. For this, two numerical strategies are presented: For this, two numerical strategies are presented: A Lagrange multiplier formulation and a penalty method. The curvilinear shell model including the geometrical constraints is taken from Duong et al. (2017) and it is extended to model the coupled phase field problems on thin shells of Zimmermann et al. (2019) and Paul et al. (2020) on multi-patches. Their accuracy and convergence are illustrated by several numerical examples considering deforming shells, phase separations on evolving surfaces, and dynamic brittle fracture of thin shells., Comment: In this version, typos in the list of references were fixed, floating pictures in Chapter 6 were reduced, and the sign of the bending moments was changed (see text passages after Eqs. (63) and (71), footnotes 13-14 and 23, and Appendix A

Contact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al. (2019). We here develop a corresponding finite element framework that captures 3D finite-strain contact of two deformable bodies. This framework is suitable to investigate sliding friction even under tensile normal loads. First, we demonstrate the capabilities of our finite element model using both 2D and 3D test cases, which range from compliant tapes to structures with high stiffness, and include deformable-rigid and deformable-deformable contact. We then provide new results on the onset of sliding of smooth elastomer-glass interfaces, a setup that couples nonlinear material behavior, adhesion, and large frictional stresses. Our simulations not only agree well with both experimental and theoretical findings, they also provide new insights into the current debate on the shear-induced reduction of the contact area in elastomeric contact.

An isogeometric finite element formulation for geometrically and materially nonlinear Timoshenko beams is presented, which incorporates in-plane deformation of the cross-section described by two extensible director vectors. Since those directors belong to the space ${\Bbb R}^3$, a configuration can be additively updated. The developed formulation allows direct application of nonlinear three-dimensional constitutive equations without zero stress conditions. Especially, the significance of considering correct surface loads rather than applying an equivalent load directly on the central axis is investigated. Incompatible linear in-plane strain components for the cross-section have been added to alleviate Poisson locking by using an enhanced assumed strain (EAS) method. In various numerical examples exhibiting large deformations, the accuracy and efficiency of the presented beam formulation is assessed in comparison to brick elements. We particularly use hyperelastic materials of the St. Venant-Kirchhoff and compressible Neo-Hookean types., Comment: 67 pages, 29 figures

This work presents a generalized Kirchhoff-Love shell theory that can explicitly capture fiber-induced anisotropy not only in stretching and out-of-plane bending, but also in in-plane bending. This setup is particularly suitable for heterogeneous and fibrous materials such as textiles, biomaterials, composites and pantographic structures. The presented theory is a direct extension of classical Kirchhoff-Love shell theory to incorporate the in-plane bending resistance of fibers. It also extends existing second-gradient Kirchhoff-Love shell theory for initially straight fibers to initially curved fibers. To describe the additional kinematics of multiple fiber families, a so-called in-plane curvature tensor -- which is symmetric and of second order -- is proposed. The effective stress tensor and the in-plane and out-of-plane moment tensors are then identified from the mechanical power balance. These tensors are all second order and symmetric in general. Constitutive equations for hyperelastic materials are derived from different expressions of the mechanical power balance. The weak form is also presented as it is required for computational shell formulations based on rotation-free finite element discretizations., Comment: This version changes the title for a better clarity. It adds two appendixes for the proof in frame invariants and comparison with Cosserat theory. It improves further text editing. Results unchanged

This work presents a self-contained continuum formulation for coupled chemical, mechanical and thermal contact interactions. The formulation is very general and hence admits arbitrary geometry, deformation and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the field equations and constitutive relations. In the process, the conjugated kinematic and kinetic variables for mechanical, thermal and chemical contact are identified, and the analogies between mechanical, thermal and chemical contact are highlighted. Particular focus is placed on the thermodynamics of chemical bonding distinguishing between exothermic and endothermic contact reactions. Distinction is also made between long-range, non-touching surface interactions and short-range, touching contact. For all constitutive relations examples are proposed and discussed comprehensively with particular focus on their coupling. Finally, three analytical test cases are presented that illustrate the thermo-chemo-mechanical contact coupling and are useful for verifying computational models. While the main novelty is the extension of existing contact formulations to chemical contact, the presented formulation also sheds new light on thermo-mechanical contact, since it is consistently derived from basic principles using only few assumptions., Comment: 40 pages, 11 figures, 3 tables

Cementless implants are widely used in orthopedic and oral surgery. However, debonding-related failure still occurs at the bone-implant interface. It remains difficult to predict such implant failure since the underlying osseointegration phenomena are still poorly understood. Especially in terms of friction and adhesion at the macro-scale, there is a lack of data and reliable models. The aim of this work is to present a new friction formulation that can model the tangential contact behavior between osseointegrated implants and bone tissue, with focus on debonding. The classical Coulomb's law is combined with a state variable friction law to model a displacement-dependent friction coefficient. A smooth state function, based on the sliding distance, is used to model implant debonding. The formulation is implemented in a 3D nonlinear finite element framework, and it is calibrated with experimental data and compared to an analytical model for mode III cleavage of a coin-shaped, titanium implant (Mathieu et al. 2012). Overall, the results show close agreement with the experimental data, especially the peak and the softening part of the torque curve with a relative error of less than 2.25 %. In addition, better estimates of the bone's shear modulus and the adhesion energy are obtained. The proposed model is particularly suitable to account for partial osseointegration, as is also shown.

We present an adaptive space-time phase field formulation for dynamic fracture of brittle shells. Their deformation is characterized by the Kirchhoff-Love thin shell theory using a curvilinear surface description. All kinematical objects are defined on the shell's mid-plane. The evolution equation for the phase field is determined by the minimization of an energy functional based on Griffith's theory of brittle fracture. Membrane and bending contributions to the fracture process are modeled separately and a thickness integration is established for the latter. The coupled system consists of two nonlinear fourth-order PDEs and all quantities are defined on an evolving two-dimensional manifold. Since the weak form requires $C^1$-continuity, isogeometric shape functions are used. The mesh is adaptively refined based on the phase field using Locally Refinable (LR) NURBS. Time is discretized based on a generalized-$\alpha$ method using adaptive time-stepping, and the discretized coupled system is solved with a monolithic Newton-Raphson scheme. The interaction between surface deformation and crack evolution is demonstrated by several numerical examples showing dynamic crack propagation and branching., Comment: In this version, typos were fixed, Fig. 16 is added, the literature review is extended and clarifying explanations and remarks are added at several places. Supplementary movies are available at https://av.tib.eu/series/641/supplemental+videos+of+the+paper+an+adaptive+space+time+phase+field+formulation+for+dynamic+fracture+of+brittle+shells+based+on+lr+nurbs

A new hyperelastic membrane material model is proposed for single layer blue phosphorus ($\beta\text{-P}$), also known as blue phosphorene. The model is fully nonlinear and captures the anisotropy of $\beta\text{-P}$ at large strains. The material model is calibrated from density functional theory (DFT) calculations considering a set of elementary deformation states. Those are pure dilatation and uniaxial stretching along the armchair and zigzag directions. The material model is compared and validated with additional DFT results and existing DFT results from the literature, and the comparison shows good agreement. The new material model can be directly used within computational shell formulations that are for example based on rotation-free isogeometric finite elements. This is demonstrated by simulations of the indentation and vibration of single layer blue phosphorus sheets at micrometer scales. The elasticity constants at small deformations are also reported.

The present work investigates the normal and tangential peeling behaviour of a gecko spatula using a coupled adhesion-friction model. The objective is to explain the strong attachment and easy detachment behaviour of the spatulae as well as to understand the principles behind their optimum design. Using nonlinear finite element computations, it is shown that during tangentially-constrained peeling the partial sliding of the spatula pad near the peeling front stretches the spatula, thus increasing the strain energy and leading to high pull-off forces. The model is used to investigate the influence of various parameters on the pull-off forces -- such as the peeling angle, spatula shaft angle, strip thickness, and material stiffness. The model shows that increasing the spatula pad thickness beyond a certain level does not lead to a significant increase in the attachment forces. Further, the easy detachment behaviour of geckos is studied under tangentially-free peeling conditions. It is found that the spatulae readily detach from the substrate by changing their shaft angle and eventually peel vertically like a tape. Since the present computational model is not limited by the geometrical, kinematical, and material restrictions of theoretical models, it can be employed to analyse similar biological adhesive systems., Comment: 30 pages, 20 figures

A thermomechanical, polar continuum formulation under finite strains is proposed for anisotropic materials using a multiplicative decomposition of the deformation gradient. First, the kinematics and conservation laws for three dimensional, polar and non-polar continua are obtained. Next, these kinematics are connected to their corresponding counterparts for surface continua based on Kirchhoff-Love kinematics. Likewise, the conservation laws for Kirchhoff-Love shells are derived from their three dimensional counterparts. From this, the weak forms are obtained for three dimensional non-polar continua and Kirchhoff-Love shells. These formulations are expressed in tensorial form so that they can be used in both curvilinear and Cartesian coordinates. They can be used to model anisotropic crystals and soft biological materials, and they can be extended to other field equations, like Maxwell's equations to model thermo-electro-magneto-mechanical materials.

This work presents a general unified theory for coupled nonlinear elastic and inelastic deformations of curved thin shells. The coupling is based on a multiplicative decomposition of the surface deformation gradient. The kinematics of this decomposition is examined in detail. In particular, the dependency of various kinematical quantities, such as area change and curvature, on the elastic and inelastic strains is discussed. This is essential for the development of general constitutive models. In order to fully explore the coupling between elastic and different inelastic deformations, the surface balance laws for mass, momentum, energy and entropy are examined in the context of the multiplicative decomposition. Based on the second law of thermodynamics, the general constitutive relations are then derived. Two cases are considered: Independent inelastic strains, and inelastic strains that are functions of temperature and concentration. The constitutive relations are illustrated by several nonlinear examples on growth, chemical swelling, thermoelasticity, viscoelasticity and elastoplasticity of shells. The formulation is fully expressed in curvilinear coordinates leading to compact and elegant expressions for the kinematics, balance laws and constitutive relations.

This work presents a concise theoretical and computational framework for the finite element formulation of frictional contact problems with arbitrarily large deformation and sliding. The aim of this work is to extend the contact theory based on surface potentials (Sauer and De Lorenzis, 2013) to account for friction. Coulomb friction under isothermal conditions is considered here. For a consistent friction formulation, we start with the first and second laws of thermodynamics and derive the governing equations at the contact interface. A so-called interacting gap can then be defined as a kinematic variable unifying both sliding/sticking and normal/tangential contact. A variational principle for the frictional system can then be formulated based on a purely kinematical constraint. The direct elimination approach applied to the tangential part of this constraint leads to the so-called moving friction cone approach of Wriggers and Haraldsson (2003). Compared with existing friction formulations, our approach reduces the theoretical and computational complexity. Several numerical examples are presented to demonstrate the accuracy and robustness of the proposed friction formulation., Comment: In this version, minor typos are removed. Eq. (25) in the previous version is removed since it is not needed in the final form of variation and linearization. Results are unchanged. Supplementary movies are available at https://av.tib.eu/series/529

A new hyperelastic material model is proposed for graphene-based structures, such as graphene, carbon nanotubes (CNTs) and carbon nanocones (CNC). The proposed model is based on a set of invariants obtained from the right surface Cauchy-Green strain tensor and a structural tensor. The model is fully nonlinear and can simulate buckling and postbuckling behavior. It is calibrated from existing quantum data. It is implemented within a rotation-free isogeometric shell formulation. The speedup of the model is 1.5 relative to the finite element model of Ghaffari et al. [1], which is based on the logarithmic strain formulation of Kumar and Parks [2]. The material behavior is verified by testing uniaxial tension and pure shear. The performance of the material model is illustrated by several numerical examples. The examples include bending, twisting, and wall contact of CNTs and CNCs. The wall contact is modeled with a coarse grained contact model based on the Lennard-Jones potential. The buckling and post-buckling behavior is captured in the examples. The results are compared with reference results from the literature and there is good agreement.

We develop two new continuum contact models for coupled adhesion and friction, and discuss them in the context of existing models proposed in the literature. Our new models are able to describe sliding friction even under tensile normal forces, which seems reasonable for certain adhesion mechanisms. In contrast, existing continuum models for combined adhesion and friction typically include sliding friction only if local contact stresses are compressive. Although such models work well for structures with sufficiently strong local compression, they fail to capture sliding friction for soft and compliant systems (like adhesive pads), for which the resistance to bending is low. This can be overcome with our new models. For further motivation, we additionally present experimental results for the onset of sliding of a smooth glass plate on a smooth elastomer cap under low normal loads. As shown, the findings from these experiments agree well with the results from our models. In this paper we focus on the motivation and derivation of our continuum contact models, and provide a corresponding literature survey. Their implementation in a nonlinear finite element framework as well as the algorithmic treatment of adhesion and friction will be discussed in future work.

Topologies of large deformation Contact-aided Compliant Mechanisms (CCMs), with self and mutual contact, exemplified via path generation applications, are designed using the continuum synthesis approach. Design domains are parameterized using honeycomb tessellation. Assignment of material to each cell, and generation of rigid contact surfaces, are accomplished via suitably sizing and positioning negative circular masks. To facilitate contact analysis, boundary smoothing is implemented. Mean value coordinates are employed to compute shape functions, as many regular hexagonal cells get degenerated into irregular, concave polygons as a consequence of boundary smoothing. Both, geometric and material nonlinearities are considered in the finite element analysis. The augmented Lagrange multiplier method in association with an active set strategy is employed to incorporate both self and mutual contact. CCMs are evolved using the stochastic hill climber search. Synthesized contact-aided compliant continua trace paths with single and importantly, multiple kinks and experience multiple contact interactions pertaining to both self and mutual contact modes., Comment: 26 pages, 30 figures

Parts in the joining station are usually arranged and clamped to result in an assembly that perfectly resembles the CAD0 construction. The perfect set-up is usually determined with the help of numerical optimization. In reality there are imperfections specific for each part, which are usually adjusted in the workshop manually. To do numerical optimization for each part is computationally expensive. Here the need for a more efficient Data mining analysis method arises. The present thesis investigates the metamodeling techniques in order to approximate the geometry response to the change of the joining station parameters. The aim is to provide the evaluation of the model by interpolating between the geometry and station set-up variations. The suitable regressions, which are able to deal with non-linear geometry behaviour, are selected with the help of the literature research. The theory behind the numerical simulation, regressions and sampling is studied to ensure the right choice of the metamodel. An automated simulation environment is programmed to assist with the creation of variation in geometry and joining station, numerical solution and analysis. The chosen regressions - Support Vector Regression and Kernel Ridge Regression - are tested on models of different complexity. The errors are evaluated to provide the quantitative measure of the quality of regressions. Possible improvements of the metamodels are studied, such as Latin Hypercube sampling techniques. The reduced complexity metamodels proved to provide a good approximation, while dealing well with non-linearities. On the other hand, it was shown that models with many design variables require improvement in sampling technique to provide better result within reasonable computational costs. At the same time, Latin Hypercube did not provide visible advancements in the tested cases. The Automated Simulation Environment and the tested metamodels are a base for the future implementation of an Artificial Neural Ne

A novel adaptive local surface refinement technique based on Locally Refined Non-Uniform Rational B-Splines (LR NURBS) is presented. LR NURBS can model complex geometries exactly and are the rational extension of LR B-splines. The local representation of the parameter space overcomes the drawback of non-existent local refinement in standard NURBS-based isogeometric analysis. For a convenient embedding into general finite element code, the B\'ezier extraction operator for LR NURBS is formulated. An automatic remeshing technique is presented that allows adaptive local refinement and coarsening of LR NURBS. In this work, LR NURBS are applied to contact computations of 3D solids and membranes. For solids, LR NURBS-enriched finite elements are used to discretize the contact surfaces with LR NURBS finite elements, while the rest of the body is discretized by linear Lagrange finite elements. For membranes, the entire surface is discretized by LR NURBS. Various numerical examples are shown, and they demonstrate the benefit of using LR NURBS: Compared to uniform refinement, LR NURBS can achieve high accuracy at lower computational cost., Comment: Computational Mechanics (2017)

This paper presents a new isogeometric mortar contact formulation based on an extended finite element interpolation to capture physical pressure discontinuities at the contact boundary. The so called two-half-pass algorithm is employed, which leads to an unbiased formulation and, when applied to the mortar setting, has the additional advantage that the mortar coupling term is no longer present in the contact forces. As a result, the computationally expensive segmentation at overlapping master-slave element boundaries, usually required in mortar methods (although often simplified with loss of accuracy), is not needed from the outset. For the numerical integration of general contact problems, the so-called refined boundary quadrature is employed, which is based on adaptive partitioning of contact elements along the contact boundary. The contact patch test shows that the proposed formulation passes the test without using either segmentation or refined boundary quadrature. Several numerical examples are presented to demonstrate the robustness and accuracy of the proposed formulation., Comment: In this version, we have removed the patch test comparison with the classical mortar method and removed corresponding statements. They will be studied in further detail in future work, so that the focus is now entirely on the new IGA mortar formulation

A unified fluid-structure interaction (FSI) formulation is presented for solid, liquid and mixed membranes. Nonlinear finite elements (FE) and the generalized-alpha scheme are used for the spatial and temporal discretization. The membrane discretization is based on curvilinear surface elements that can describe large deformations and rotations, and also provide a straightforward description for contact. The fluid is described by the incompressible Navier-Stokes equations, and its discretization is based on stabilized Petrov-Galerkin FE. The coupling between fluid and structure uses a conforming sharp interface discretization, and the resulting non-linear FE equations are solved monolithically within the Newton-Raphson scheme. An arbitrary Lagrangian-Eulerian formulation is used for the fluid in order to account for the mesh motion around the structure. The formulation is very general and admits diverse applications that include contact at free surfaces. This is demonstrated by two analytical and three numerical examples exhibiting strong coupling between fluid and structure. The examples include balloon inflation, droplet rolling and flapping flags. They span a Reynolds-number range from 0.001 to 2000. One of the examples considers the extension to rotation-free shells using isogeometric FE., Comment: 38 pages, 17 figures

The nonlinear frequencies of pre-stressed graphene-based structures, such as flat graphene sheets and carbon nanotubes, are calculated. These structures are modeled with a nonlinear hyperelastic shell model. The model is calibrated with quantum mechanics data and is valid for high strains. Analytical solutions of the natural frequencies of various plates are obtained for the Canham bending model by assuming infinitesimal strains. These solutions are used for the verification of the numerical results. The performance of the model is illustrated by means of several examples. Modal analysis is performed for square plates under pure dilatation or uniaxial stretch, circular plates under pure dilatation or under the effects of an adhesive substrate, and carbon nanotubes under uniaxial compression or stretch. The adhesive substrate is modeled with van der Waals interaction (based on the Lennard-Jones potential) and a coarse grained contact model. It is shown that the analytical natural frequencies underestimate the real ones, and this should be considered in the design of devices based on graphene structures.

An existing hyperelastic membrane model for graphene calibrated from ab-initio data (Kumar and Parks, 2014) is adapted to curvilinear coordinates and extended to a rotation-free shell formulation based on isogeometric finite elements. Therefore, the membrane model is extended by a hyperelastic bending model that reflects the ab-inito data of Kudin et al. (2001). The proposed formulation can be implemented straight-forwardly into an existing finite element package, since it does not require the description of molecular interactions. It thus circumvents the use of interatomic potentials that tend to be less accurate than ab-initio data. The proposed shell formulation is verified and analyzed by a set of simple test cases. The results are in agreement to analytical solutions and satisfy the FE patch test. The performance of the shell formulation for graphene structures is illustrated by several numerical examples. The considered examples are indentation and peeling of graphene and torsion, bending and axial stretch of carbon nanotubes. Adhesive substrates are modeled by the Lennard-Jones potential and a coarse grained contact model. In principle, the proposed formulation can be extended to other 2D materials., Comment: New examples are added and some typos are removed. The previous results are unchanged, International Journal of Solids and Structures (2017)

This paper presents three different constitutive approaches to model thin rotation-free shells based on the Kirchhoff-Love hypothesis. One approach is based on numerical integration through the shell thickness while the other two approaches do not need any numerical integration and so they are computationally more efficient. The formulation is designed for large deformations and allows for geometrical and material nonlinearities, which makes it very suitable for the modeling of soft tissues. Furthermore, six different isotropic and anisotropic material models, which are commonly used to model soft biological materials, are examined for the three proposed constitutive approaches. Following an isogeometric approach, NURBS-based finite elements are used for the discretization of the shell surface. Several numerical examples are investigated to demonstrate the capabilities of the formulation. Those include the contact simulation during balloon angioplasty., Comment: Typos are removed. Remark 3.4 is added. Eq. (18) in the previous version is removed. Thus, the equations get renumbered. Example 5.5 is updated. Minor typos in Eqs. (17), (80), (145) and (146), are corrected. They do not affect the results

This paper presents a new finite element (FE) formulation for liquid shells that is based on an explicit, 3D surface discretization using $C^1$-continuous finite elements constructed from NURBS interpolation. Both displacement-based and mixed FE formulations are proposed. The latter is needed for area-incompressible material behavior, where penalty-type regularizations can lead to misleading results. In order to obtain quasi-static solutions, several numerical stabilization schemes are proposed based on either stiffness, viscosity or projection. Several numerical examples are considered in order to illustrate the accuracy and the capabilities of the proposed formulation, and to compare the different stabilization schemes. The presented formulation is capable of simulating non-trivial surface shapes associated with tube formation and protein-induced budding of lipid bilayers. In the latter case, the presented formulation yields non-axisymmetric solutions, which have not been observed in previous simulations. It is shown that those non-axisymmetric shapes are preferred over axisymmetric ones., Comment: Corrected typo in axes of Fig.3, results unchanged

We develop a class of C1-continuous time integration methods that are applicable to conservative problems in elastodynamics. These methods are based on Hamilton's law of varying action. From the action of the continuous system we derive a spatially and temporally weak form of the governing equilibrium equations. This expression is first discretized in space, considering standard finite elements. The resulting system is then discretized in time, approximating the displacement by piecewise cubic Hermite shape functions. Within the time domain we thus achieve C1-continuity for the displacement field and C0-continuity for the velocity field. From the discrete virtual action we finally construct a class of one-step schemes. These methods are examined both analytically and numerically. Here, we study both linear and nonlinear systems as well as inherently continuous and discrete structures. In the numerical examples we focus on one-dimensional applications. The provided theory, however, is general and valid also for problems in 2D or 3D. We show that the most favorable candidate -- denoted as p2-scheme -- converges with order four. Thus, especially if high accuracy of the numerical solution is required, this scheme can be more efficient than methods of lower order. It further exhibits, for linear simple problems, properties similar to variational integrators, such as symplecticity. While it remains to be investigated whether symplecticity holds for arbitrary systems, all our numerical results show an excellent long-term energy behavior., Comment: slightly condensed the manuscript, added references, numerical results unchanged

A geometrically exact membrane formulation is presented that is based on curvilinear coordinates and isogeometric finite elements, and is suitable for both solid and liquid membranes. The curvilinear coordinate system is used to describe both the theory and the finite element equations of the membrane. In the latter case this avoids the use of local cartesian coordinates at the element level. Consequently, no transformation of derivatives is required. The formulation considers a split of the in-plane and out-of-plane membrane contributions, which allows the construction of a stable formulation for liquid membranes with constant surface tension. The proposed membrane formulation is general, and accounts for dead and live loading, as well as enclosed volume, area, and contact constraints. The new formulation is illustrated by several challenging examples, considering linear and quadratic Lagrange elements, as well as isogeometric elements based on quadratic NURBS and cubic T-splines. It is seen that the isogeometric elements are much more accurate than standard Lagrange elements. The gain is especially large for the liquid membrane formulation since it depends explicitly on the surface curvature.

In recent studies, the exact solutions of the Eshelby tensors for a spherical inclusion in a finite, spherical domain have been obtained for both the Dirichlet- and Neumann boundary value problems, and they have been further applied to the homogenization of composite materials [15], [16]. The present work is an extension to a more general boundary condition, which allows for the continuity of both the displacement and traction field across the interface between RVE (representative volume element) and surrounding composite. A new class of Eshelby tensors is obtained, which depend explicitly on the material properties of the composite, and are therefore termed "the Composite Eshelby Tensors". These include the Dirichlet- and the Neumann-Eshelby tensors as special cases. We apply the new Eshelby tensors to the homogenization of composite materials, and it is shown that several classical homogenization methods can be unified under a novel method termed the "Dual Eigenstrain Method". We further propose a modified Hashin-Shtrikman variational principle, and show that the corresponding modified Hashin-Shtrikman bounds, like the Composite Eshelby Tensors, depend explicitly on the composite properties. © 2007 Springer-Verlag Wien.

In recent studies, the exact solutions of the Eshelby tensors for a spherical inclusion in a finite, spherical domain have been obtained for both the Dirichlet- and Neumann boundary value problems, and they have been further applied to the homogenization of composite materials [15], [16]. The present work is an extension to a more general boundary condition, which allows for the continuity of both the displacement and traction field across the interface between RVE (representative volume element) and surrounding composite. A new class of Eshelby tensors is obtained, which depend explicitly on the material properties of the composite, and are therefore termed "the Composite Eshelby Tensors". These include the Dirichlet- and the Neumann-Eshelby tensors as special cases. We apply the new Eshelby tensors to the homogenization of composite materials, and it is shown that several classical homogenization methods can be unified under a novel method termed the "Dual Eigenstrain Method". We further propose a modified Hashin-Shtrikman variational principle, and show that the corresponding modified Hashin-Shtrikman bounds, like the Composite Eshelby Tensors, depend explicitly on the composite properties. © 2007 Springer-Verlag Wien.

In recent studies, the exact solutions of the Eshelby tensors for a spherical inclusion in a finite, spherical domain have been obtained for both the Dirichlet- and Neumann boundary value problems, and they have been further applied to the homogenization of composite materials [15], [16]. The present work is an extension to a more general boundary condition, which allows for the continuity of both the displacement and traction field across the interface between RVE (representative volume element) and surrounding composite. A new class of Eshelby tensors is obtained, which depend explicitly on the material properties of the composite, and are therefore termed ‘‘the Composite Eshelby Tensors’’. These include the Dirichlet- and the NeumannEshelby tensors as special cases. We apply the new Eshelby tensors to the homogenization of composite materials, and it is shown that several classical homogenization methods can be unified under a novel method termed the ‘‘Dual Eigenstrain Method’’. We further propose a modified Hashin-Shtrikman variational principle, and show that the corresponding modified Hashin-Shtrikman bounds, like the Composite Eshelby Tensors, depend explicitly on the composite properties.

This work is concerned with the precise characterization of the elastic fields due to a spherical inclusion embedded within a spherical representative volume element (RVE). The RVE is considered having finite size, with either a prescribed uniform displacement or a prescribed uniform traction boundary condition. Based on symmetry and group theoretic arguments, we identify that the Eshelby tensor for a spherical inclusion admits a unique decomposition, which we coin the "radial transversely isotropic tensor." Based on this notion, a novel solution procedure is presented to solve the resulting Fredholm type integral equations. By using this technique, exact and closed form solutions have been obtained for the elastic disturbance fields. In the solution two new tensors appear, which are termed the Dirichlet-Eshelby tensor and the Neumann-Eshelby tensor. In contrast to the classical Eshelby tensor they both are position dependent and contain information about the boundary condition of the RVE as well as the volume fraction of the inclusion. The new finite Eshelby tensors have far-reaching consequences in applications such as nanotechnology, homogenization theory of composite materials, and defects mechanics. Copyright © 2007 by ASME.

In this part of the work, the Eshelby tensors of a finite spherical domain are applied to various homogenization procedures estimating the effective material properties of multiphase composites. The Eshelby tensors of a finite domain can capture the boundary effect of a representative volume element as well as the size effect of the different phases. Therefore their application to homogenization does not only improve the accuracy of classical homogenization methods, but also leads to some novel homogenization theories. This paper highlights a few of them: a refined dilute suspension method and a modified Mori-Tanaka method, the exterior eigenstrain method, the dual-eigenstrain method, which is a generalized self-consistency method, a shell model, and new variational bounds depending on the different boundary conditions. To the best of the authors' knowledge, this is the first time that a multishell model is used to evaluate the Hashin-Shtrikman bounds for a multiple phase composite (n ≥ 3), which can distinguish some of the subtleties of different microstructures. Copyright © 2007 by ASME

In this part of the work, the Eshelby tensors of a finite spherical domain are applied to various homogenization procedures estimating the effective material properties of multiphase composites. The Eshelby tensors of a finite domain can capture the boundary effect of a representative volume element as well as the size effect of the different phases. Therefore their application to homogenization does not only improve the accuracy of classical homogenization methods, but also leads to some novel homogenization theories. This paper highlights a few of them: a refined dilute suspension method and a modified Mori-Tanaka method, the exterior eigenstrain method, the dual-eigenstrain method, which is a generalized self-consistency method, a shell model, and new variational bounds depending on the different boundary conditions. To the best of the authors' knowledge, this is the first time that a multishell model is used to evaluate the Hashin-Shtrikman bounds for a multiple phase composite (n ≥ 3), which can distinguish some of the subtleties of different microstructures. Copyright © 2007 by ASME

This work is concerned with the precise characterization of the elastic fields due to a spherical inclusion embedded within a spherical representative volume element (RVE). The RVE is considered having finite size, with either a prescribed uniform displacement or a prescribed uniform traction boundary condition. Based on symmetry and group theoretic arguments, we identify that the Eshelby tensor for a spherical inclusion admits a unique decomposition, which we coin the "radial transversely isotropic tensor." Based on this notion, a novel solution procedure is presented to solve the resulting Fredholm type integral equations. By using this technique, exact and closed form solutions have been obtained for the elastic disturbance fields. In the solution two new tensors appear, which are termed the Dirichlet-Eshelby tensor and the Neumann-Eshelby tensor. In contrast to the classical Eshelby tensor they both are position dependent and contain information about the boundary condition of the RVE as well as the volume fraction of the inclusion. The new finite Eshelby tensors have far-reaching consequences in applications such as nanotechnology, homogenization theory of composite materials, and defects mechanics. Copyright © 2007 by ASME.

In this part of the work, the Eshelby tensors of a finite spherical domain are applied to various homogenization procedures estimating the effective material properties of multiphase composites. The Eshelby tensors of a finite domain can capture the boundary effect of a representative volume element as well as the size effect of the different phases. Therefore their application to homogenization does not only improve the accuracy of classical homogenization methods, but also leads to some novel homogenization theories. This paper highlights a few of them: a refined dilute suspension method and a modified Mori-Tanaka method, the exterior eigenstrain method, the dual-eigenstrain method, which is a generalized self-consistency method, a shell model, and new variational bounds depending on the different boundary conditions. To the best of the authors' knowledge, this is the first time that a multishell model is used to evaluate the Hashin-Shtrikman bounds for a multiple phase composite (n ≥ 3), which can distinguish some of the subtleties of different microstructures. Copyright © 2007 by ASME

This work is concerned with the precise characterization of the elastic fields due to a spherical inclusion embedded within a spherical representative volume element (RVE). The RVE is considered having finite size, with either a prescribed uniform displacement or a prescribed uniform traction boundary condition. Based on symmetry and group theoretic arguments, we identify that the Eshelby tensor for a spherical inclusion admits a unique decomposition, which we coin the

This is the first paper in a series concerned with the precise characterization of the elastic fields due to inclusions embedded in a finite elastic medium. A novel solution procedure has been developed to systematically solve a type of Fredholm integral equations based on symmetry, self-similarity, and invariant group arguments. In this paper, we consider a two-dimensional (2D) circular inclusion within a finite, circular representative volume element (RVE). The RVE is considered isotropic, linear elastic and is subjected to a displacement (Dirichlet) boundary condition. Starting from the 2D plane strain Navier equation and by using our new solution technique, we obtain the exact disturbance displacement and strain fields due to a prescribed constant eigenstrain field within the inclusion. The solution is characterized by the so-called Dirichlet-Eshelby tensor, which is provided in closed form for both the exterior and interior region of the inclusion. Some immediate applications of the Dirichlet-Eshelby tensor are discussed briefly.